Molecule

ID:31812

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂
Molecular Mass
198.6925
Exact Mass
198.09237617
Charge
0
InChI
InChI=1S/C10H15ClN2/c1-13(2)10(7-12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3
InChIKey
MSSOZCIZQIKCDH-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccc(c1)Cl)N(C)C
Isomeric Smiles
c1(C(N(C)C)CN)cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1092522
LogD (pH = 7.4)
0.06601827
Log P
1.7814705
Molar Refractivity
57.0255
Polarizability
22.60815
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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